Michael Schuurman

22PUBLICATIONS
60CO-AUTHORS
Chemical thermodynamics and energeticsTheoretical quantum chemistryComputational chemistryCondensed matter modelling and density functional theoryQuantum information, computation and communication
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Publications (22)

|Jan 09, 2026
Fragmentation dynamics of CS2 dications and trications following S 2p ionization.

Felix Allum, Chow-Shing Lam, Benjamin Erk

|Oct 22, 2025
The simulation of X-ray absorption spectra including vibronic coupling: application of the QD-DFT/MRCI(2) method.

Martha Yaghoubi Jouybari, Simon P Neville, Michael S Schuurman

|Jan 29, 2025
Minimum Energy Conical Intersection Optimization Using DFT/MRCI(2).

Tzu Yu Wang, Simon P Neville, Michael S Schuurman

|Sep 20, 2024
A DFT/MRCI Hamiltonian parameterized using only ab initio data. II. Core-excited states.

Teagan Shane Costain, Jibrael B Rolston, Simon P Neville

|Sep 12, 2024
Time Resolved Quantum Tomography in Molecular Spectroscopy by the Maximal Entropy Approach.

Varun Makhija, Rishabh Gupta, Simon Neville

|Jun 20, 2024
Calculation of quasi-diabatic states within the DFT/MRCI(2) framework: The QD-DFT/MRCI(2) method.

Simon P Neville, Michael S Schuurman

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